%chk=000002171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002171

0 1
 S   -2.556000      -1.061600       1.874700    
 O   -2.211200      -1.461000      -2.497900    
 O   -5.104700       1.918600     -0.7926000    
 O   -2.967900       2.172800      -1.544700    
 O    1.408500      -2.319600       1.331600    
 O    4.835000       3.496200      0.4253000    
 N   -2.203500     -0.1574000     -0.5305000    
 N   0.5485000      -1.646000     -0.7137000    
 N    3.858000      -2.768000      0.1359000    
 C   -1.351400     -0.6070000      0.5741000    
 C   -3.746300      0.2430000       1.282300    
 C   -3.572700      0.2256000     -0.2517000    
 C  -0.8673000      -1.737100     -0.3449000    
 C   -1.822400      -1.140100      -1.397800    
 C   -5.165900     -0.1581000       1.687400    
 C   -3.363600       1.570100       1.951500    
 C   -3.813400       1.532700     -0.9374000    
 C    1.585000      -1.950400      0.1717000    
 C    2.967800      -1.756700     -0.4411000    
 C    3.468800     -0.3464000     -0.2085000    
 C    3.771700      0.4495000      -1.298300    
 C    3.611900      0.1125000       1.088700    
 C    4.233500       1.748100      -1.084000    
 C    4.073500       1.411100       1.303100    
 C    4.384200       2.229100      0.2167000    
 H  -0.6146000      0.1491000      0.8631000    
 H   -4.221100     -0.5245000     -0.7244000    
 H   -1.146100      -2.755800     -5.2700002E-02
 H   -5.265400     -0.2378000       2.776400    
 H   -5.897900      0.5839000       1.351100    
 H   -5.456300      -1.122400       1.254200    
 H   -3.377300       1.485700       3.044900    
 H   -2.365600       1.911700       1.654900    
 H   -4.070900       2.365000       1.690100    
 H   0.8016000      -1.339900      -1.650300    
 H    2.902400      -1.959800      -1.517500    
 H   -5.282300       2.776800      -1.233200    
 H    4.775700      -2.702400     -0.3039000    
 H    3.507100      -3.698600     -8.9199997E-02
 H    3.657700      8.6499996E-02  -2.315400    
 H    3.380200     -0.5109000       1.947000    
 H    4.473800       2.380600      -1.934200    
 H    4.187800       1.773400       2.321300    
 H    4.878400       3.661500       1.382700    


%chk=000002171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002171

0 1
S -2.769470 -1.247943 1.838555
O -1.687065 -0.944156 -2.542316
O -5.110730 2.146698 -0.925851
O -2.922381 2.870530 -0.601215
O 1.298883 -3.368463 0.527659
O 4.646260 3.543613 -0.247145
N -2.128971 0.085537 -0.383899
N 0.826892 -1.256936 -0.325467
N 3.971742 -2.862826 0.606459
C -1.397958 -0.461573 0.787227
C -3.980915 0.163539 1.249942
C -3.529702 0.476652 -0.250842
C -0.603900 -1.403046 -0.200831
C -1.506886 -0.775181 -1.324634
C -5.418499 -0.382437 1.292473
C -3.799209 1.376002 2.188654
C -3.758601 1.949572 -0.602614
C 1.695406 -2.278699 0.016719
C 3.197302 -2.044215 -0.329098
C 3.607933 -0.568620 -0.295396
C 3.588054 0.220944 -1.474667
C 3.999616 0.038336 0.922894
C 3.931525 1.588837 -1.444021
C 4.347591 1.403495 0.969701
C 4.308477 2.179884 -0.216498
H -0.807563 0.257689 1.372670
H -4.144779 -0.127969 -0.943347
H -0.830919 -2.469300 -0.028183
H -5.720214 -0.605461 2.330946
H -6.116272 0.372189 0.885328
H -5.515881 -1.306332 0.696528
H -4.008945 1.073137 3.227785
H -2.774090 1.782730 2.148178
H -4.503105 2.187550 1.920212
H 1.222408 -0.382190 -0.682304
H 3.278931 -2.385126 -1.394188
H -5.261382 3.104202 -1.153672
H 4.940804 -3.029105 0.328976
H 3.464115 -3.700600 0.911519
H 3.317470 -0.238826 -2.434258
H 4.045928 -0.589983 1.818408
H 3.923415 2.202663 -2.349252
H 4.652903 1.861483 1.920166
H 4.899081 3.865702 0.653500


